Information card for entry 4513950

Structure parameters

• Formula: C24 H30 B I N4
• Calculated formula: C24 H30 B I N4
• SMILES: [BH2]([n]1ccn(c1)c1c(cc(cc1C)C)C)[n]1ccn(c1)c1c(cc(cc1C)C)C.[I-]
• Title of publication: Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions
• Authors of publication: Lu, Zhiyao; Williams, Travis J.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 6670
• a: 8.2687 ± 0.0007 Å
• b: 19.3361 ± 0.0015 Å
• c: 8.7596 ± 0.0007 Å
• α: 90°
• β: 115.029 ± 0.001°
• γ: 90°
• Cell volume: 1269.01 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No